D465-0071 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

D465-0071 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
D465-0071 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0071
2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D465-0071

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-(4-methylphenyl)ethenyl]-5-(4-propanoylpiperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

CCC(N(CC1)CCN1c1c(C#N)nc(/C=C/c2ccc(C)cc2)o1)=O

InChI

InChI=1S/C20H22N4O2/c1-3-19(25)23-10-12-24(13-11-23)20-17(14-21)22-18(26-20)9-8-16-6-4-15(2)5-7-16/h4-9H,3,10-13H2,1-2H3

InChI Key

GOPURVPXDRPNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.29

Polar Surface Area

55.621

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D465-0071 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D465-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0071?
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What is the minimum amount of D465-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0071
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D465-0071 available by request